methyl 2-[(4-fluorophenyl)methoxy]-5-iodobenzoate

C15H12FIO3 — CID 67106887

IUPACmethyl 2-[(4-fluorophenyl)methoxy]-5-iodobenzoate
SMILESCOC(=O)c1cc(I)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C15H12FIO3/c1-19-15(18)13-8-12(17)6-7-14(13)20-9-10-2-4-11(16)5-3-10/h2-8H,9H2,1H3
InChIKeyJUXSVMLCFUKFSW-UHFFFAOYSA-N
MW386.16 g/mol
LogP3.80
Rot. Bonds4

About methyl 2-[(4-fluorophenyl)methoxy]-5-iodobenzoate

methyl 2-[(4-fluorophenyl)methoxy]-5-iodobenzoate (PubChem CID 67106887) has the molecular formula C15H12FIO3 and a molecular weight of 386.16 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)methoxy]-5-iodobenzoate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)methoxy]-5-iodobenzoate
PubChem CID67106887
Molecular FormulaC15H12FIO3
Molecular Weight386.16 g/mol
Exact Mass385.98
IUPAC Namemethyl 2-[(4-fluorophenyl)methoxy]-5-iodobenzoate
SMILESCOC(=O)c1cc(I)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C15H12FIO3/c1-19-15(18)13-8-12(17)6-7-14(13)20-9-10-2-4-11(16)5-3-10/h2-8H,9H2,1H3
InChIKeyJUXSVMLCFUKFSW-UHFFFAOYSA-N
XLogP3.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.16
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(3,4-difluorophenyl)methoxy]-5-iodobenzoate
CID 72698508
methyl 2-[(4-fluorophenyl)methoxy]-5-(3-oxoprop-1-enyl)benzoate
CID 123968385
methyl 5-iodo-2-propoxybenzoate
CID 69136629
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 2-(3-bromopropoxy)-5-iodobenzoate
CID 89053252
methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate
CID 86725638
methyl 4-[(2,4-difluorophenoxy)methyl]-2-fluorobenzoate
CID 103749651
2-[(4-hydroxyphenyl)methoxy]-5-iodobenzoic acid
CID 82994875
methyl 2-(cyclopropylmethoxy)-5-iodobenzoate
CID 59193408
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
methyl 2-fluoro-5-iodobenzoate
CID 24820379
methyl 5-amino-2-[(4-chlorophenyl)methoxy]benzoate
CID 65126151

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorophenyl)methoxy]-5-iodobenzoate?
The IUPAC name of methyl 2-[(4-fluorophenyl)methoxy]-5-iodobenzoate (CID 67106887) is methyl 2-[(4-fluorophenyl)methoxy]-5-iodobenzoate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)methoxy]-5-iodobenzoate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)methoxy]-5-iodobenzoate is COC(=O)c1cc(I)ccc1OCc1ccc(F)cc1.
What is the InChIKey of methyl 2-[(4-fluorophenyl)methoxy]-5-iodobenzoate?
The InChIKey is JUXSVMLCFUKFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FIO3/c1-19-15(18)13-8-12(17)6-7-14(13)20-9-10-2-4-11(16)5-3-10/h2-8H,9H2,1H3.
What are the key properties of methyl 2-[(4-fluorophenyl)methoxy]-5-iodobenzoate?
methyl 2-[(4-fluorophenyl)methoxy]-5-iodobenzoate has a molecular weight of 386.16 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorophenyl)methoxy]-5-iodobenzoate is sourced from PubChem (CID 67106887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).